4-(4-tert-butylpiperazin-1-yl)-2,3-dihydropyridin-3-amine

C13H24N4 — CID 163541673

IUPAC4-(4-tert-butylpiperazin-1-yl)-2,3-dihydropyridin-3-amine
SMILESCC(C)(C)N1CCN(C2=CC=NCC2N)CC1
InChIInChI=1S/C13H24N4/c1-13(2,3)17-8-6-16(7-9-17)12-4-5-15-10-11(12)14/h4-5,11H,6-10,14H2,1-3H3
InChIKeyFBPTULXCRVWRSI-UHFFFAOYSA-N
MW236.36 g/mol
LogP0.70
Rot. Bonds1

About 4-(4-tert-butylpiperazin-1-yl)-2,3-dihydropyridin-3-amine

4-(4-tert-butylpiperazin-1-yl)-2,3-dihydropyridin-3-amine (PubChem CID 163541673) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 4-(4-tert-butylpiperazin-1-yl)-2,3-dihydropyridin-3-amine.

Molecular Properties

Compound Name4-(4-tert-butylpiperazin-1-yl)-2,3-dihydropyridin-3-amine
PubChem CID163541673
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name4-(4-tert-butylpiperazin-1-yl)-2,3-dihydropyridin-3-amine
SMILESCC(C)(C)N1CCN(C2=CC=NCC2N)CC1
InChIInChI=1S/C13H24N4/c1-13(2,3)17-8-6-16(7-9-17)12-4-5-15-10-11(12)14/h4-5,11H,6-10,14H2,1-3H3
InChIKeyFBPTULXCRVWRSI-UHFFFAOYSA-N
XLogP0.70
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-5-piperazin-2-yl-2H-pyrazine
CID 53732754
5-(4-Ethylpiperazin-1-yl)-2,3-dihydropyridin-2-amine
CID 70889952
(Z)-N-[(E)-1-(2-methylpiperazin-1-yl)prop-1-en-2-yl]pent-2-en-1-imine
CID 123800549
4-N-[2-(dimethylamino)ethyl]-3-methyl-2H-pyridine-3,4-diamine
CID 140591036
1-(3,4-Dihydropyridin-6-ylmethyl)piperazine;methanamine
CID 142252974
(2R)-5-(4-propan-2-ylpiperazin-1-yl)-2,3-dihydropyridin-2-amine
CID 142400462
(Z)-2-(1-piperazin-1-ylethyl)-N-prop-1-en-2-ylbut-2-en-1-imine
CID 145198211
ethane;(Z)-2-(piperazin-1-ylmethyl)-N-prop-1-en-2-ylpent-2-en-1-imine
CID 145198219
N'-(2,3-dihydropyridin-4-yl)-N,N'-dimethylethane-1,2-diamine
CID 145601383
1-(2-Methyl-2,3-dihydropyridin-5-yl)piperazine
CID 156395862
4-(4-Ethylpiperazin-1-yl)-2,3-dihydropyridin-3-amine
CID 163687771
4-(4-Methyl-1,4-diazepan-1-yl)-2,3-dihydropyridin-3-amine
CID 163959584

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylpiperazin-1-yl)-2,3-dihydropyridin-3-amine?
The IUPAC name of 4-(4-tert-butylpiperazin-1-yl)-2,3-dihydropyridin-3-amine (CID 163541673) is 4-(4-tert-butylpiperazin-1-yl)-2,3-dihydropyridin-3-amine.
What is the SMILES notation for 4-(4-tert-butylpiperazin-1-yl)-2,3-dihydropyridin-3-amine?
The canonical SMILES for 4-(4-tert-butylpiperazin-1-yl)-2,3-dihydropyridin-3-amine is CC(C)(C)N1CCN(C2=CC=NCC2N)CC1.
What is the InChIKey of 4-(4-tert-butylpiperazin-1-yl)-2,3-dihydropyridin-3-amine?
The InChIKey is FBPTULXCRVWRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-13(2,3)17-8-6-16(7-9-17)12-4-5-15-10-11(12)14/h4-5,11H,6-10,14H2,1-3H3.
What are the key properties of 4-(4-tert-butylpiperazin-1-yl)-2,3-dihydropyridin-3-amine?
4-(4-tert-butylpiperazin-1-yl)-2,3-dihydropyridin-3-amine has a molecular weight of 236.36 g/mol, XLogP of 0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylpiperazin-1-yl)-2,3-dihydropyridin-3-amine is sourced from PubChem (CID 163541673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).